Structure Database (LMSD)

Common Name
12(13)-Epoxy-9-oxo-OME
Systematic Name
9-oxo-12,13-epoxy-10-octadecenoic acid
Synonyms
  • EKODE
  • trans-EKODE-(E)-Ib
LM ID
LMFA02000247
Formula
C18H30O4
Exact Mass
Calculate m/z
310.21441
Sum Composition
FA 18:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]
Epoxy fatty acids [FA0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Epoxy-keto derivative of linoleic acid stimulates aldosterone secretion.,
Hypertension, 2004
Pubmed ID: 14718355

String Representations

InChiKey (Click to copy)
RCMABBHQYMBYKV-BUHFOSPRSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
SMILES (Click to copy)
C(CCCC(=O)/C=C/C1OC1CCCCC)CCCC(=O)O

Other Databases

HMDB ID
HMDB0013623
CHEBI ID
89606
PubChem CID
5283007
Cayman ID
10004224

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 334.84
Topological Polar Surface Area 66.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 87.93

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Created at
-
Updated at
25th Nov 2024